[Cd(NO3)2(2,4'-bipyridine)(acetonitrile)]2 | 552272-66-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Cd(NO3)2(2,4'-bipyridine)(acetonitrile)]2
• 英文别名: 2{2,4-Bipy*(MeCN)Cd(NO3)2}；acetonitrile;cadmium(2+);2-pyridin-4-ylpyridine;tetranitrate
• CAS: 552272-66-9
• 化学式: C₂₄H₂₂Cd₂N₁₀O₁₂
• 分子量: 867.318
• InChiKey: NDWTXZAWGKHPRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  48
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  351
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  2,4'-二吡啶 、 cadmium(II) nitrate tetrhydrate 、 乙腈 以 二氯甲烷 、 乙腈 为溶剂， 以53%的产率得到[Cd(NO3)2(2,4'-bipyridine)(acetonitrile)]2
  参考文献：
  名称：

  Stereoselective Association of Binuclear Metallacycles in Coordination Polymers

  摘要：

  A series of structurally related binuclear metallacycles [Cd(NO3)(2)L](2), where L is an angular exobidentate ligand, have been synthesized. Each metallacycle contains two coordinatively unsaturated, chiral metal centers within a single molecule, and the assembly of these metallacycles into polymeric framework structures has been studied systematically for the first time. Stereoselective homochiral association of [Cd(NO3)(2)L](2) leads to the formation of helical coordination polymers, whereas tneso type association results in nonhelical chain structures. The type of stereoselective aggregation depends on the conditions of self-assembly as well as on ligand functionality. Both helical and nonhelical polymeric complexes have been isolated for the metallacycle [Cd(NO3)(2)(2,4'-pyacph)](2) (2,4'-pyacph = 2,4'-(4-ethynylphenyl)bipyridyl). Homochiral association results in the formation of helical [Cd(NO3)](infinity) chains which link the binuclear [Cd(NO3)2(2,4'-pyacph)](2) metallacycles into racemic two-dimensional sheets which contain both P and M [Cd(NO3)](infinity) helices. In contrast, meso-association leads to the formation of nonhelical one-dimensional chains. It is shown that the product of homochiral association is predominately formed at room temperature and that of meso-association is generated at elevated temperatures. Thus, it may be concluded that the homochiral association appears to be energetically less favorable than the meso-association, a conclusion that has been confirmed by theoretical calculations of the crystal lattice energy. Several high-yield syntheses of bipyridyl-type ligands used for metallacyclic assembly are also reported.

  DOI：

  10.1021/ja029048y